The electronic, optical, and thermodynamic properties of borophene from first-principles calculations
Borophene (a two-dimensional boron sheet) is a new type of two-dimensional material, which was recently grown successfully on single crystal Ag substrates. In this paper, we investigate the electronic structure and bonding characteristics of borophene by first-principles calculations. The band structure of borophene shows highly anisotropic metallic behaviour. The obtained optical properties of borophene exhibit strong anisotropy as well. Finally, the thermodynamic properties are investigated based on the phonon properties.
- This article is part of the themed collection: 2016 Journal of Materials Chemistry C Most Accessed Manuscripts